2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine

C13H14ClN5 — CID 66280378

IUPAC2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCc1cnccc1-c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C13H14ClN5/c1-9-8-15-5-4-10(9)11-16-12(14)18-13(17-11)19-6-2-3-7-19/h4-5,8H,2-3,6-7H2,1H3
InChIKeyLPSLRMUHQMLMFR-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.50
Rot. Bonds2

About 2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 66280378) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID66280378
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCc1cnccc1-c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C13H14ClN5/c1-9-8-15-5-4-10(9)11-16-12(14)18-13(17-11)19-6-2-3-7-19/h4-5,8H,2-3,6-7H2,1H3
InChIKeyLPSLRMUHQMLMFR-UHFFFAOYSA-N
XLogP2.50
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine (CID 66280378) is 2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine is Cc1cnccc1-c1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is LPSLRMUHQMLMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-9-8-15-5-4-10(9)11-16-12(14)18-13(17-11)19-6-2-3-7-19/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 275.74 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methyl-4-pyridinyl)-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 66280378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).